2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride

C9H15Cl2N3O2S — CID 54595164

IUPAC2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride
SMILESCN1CCN(c2ncc(C(=O)O)s2)CC1.Cl.Cl
InChIInChI=1S/C9H13N3O2S.2ClH/c1-11-2-4-12(5-3-11)9-10-6-7(15-9)8(13)14;;/h6H,2-5H2,1H3,(H,13,14);2*1H
InChIKeyFIZZFLOHDGPAPS-UHFFFAOYSA-N
MW300.21 g/mol
LogP1.44
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride

2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride (PubChem CID 54595164) has the molecular formula C9H15Cl2N3O2S and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride
PubChem CID54595164
Molecular FormulaC9H15Cl2N3O2S
Molecular Weight300.21 g/mol
Exact Mass299.03
IUPAC Name2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride
SMILESCN1CCN(c2ncc(C(=O)O)s2)CC1.Cl.Cl
InChIInChI=1S/C9H13N3O2S.2ClH/c1-11-2-4-12(5-3-11)9-10-6-7(15-9)8(13)14;;/h6H,2-5H2,1H3,(H,13,14);2*1H
InChIKeyFIZZFLOHDGPAPS-UHFFFAOYSA-N
XLogP1.44
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride (CID 54595164) is 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride is CN1CCN(c2ncc(C(=O)O)s2)CC1.Cl.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride?
The InChIKey is FIZZFLOHDGPAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S.2ClH/c1-11-2-4-12(5-3-11)9-10-6-7(15-9)8(13)14;;/h6H,2-5H2,1H3,(H,13,14);2*1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride?
2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride has a molecular weight of 300.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid;dihydrochloride is sourced from PubChem (CID 54595164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).